SCHEMBL3247895

SCHEMBL3247895

Cn1cc(-c2ccnc3ccccc23)c(-c2ccccn2)n1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.68
MAPK14 Q16539 10/20 0.68
THRB P10828 2/20 0.51
CSNK1D P48730 3/20 0.50
TGFBR2 P37173 1/20 0.50
ABL2 P42684 1/20 0.50
CSNK1A1 P48729 1/20 0.50
MAP3K20 Q9NYL2 1/20 0.50
GRM4 Q14833 4/20 0.47
BRD4 O60885 1/20 0.43
BMP4 P12644 1/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3244123 0.85 TGFBR1 (0.63) TGFBR1MAPK14THRBTGFBR2GRM4
SCHEMBL25325276 0.84 MAPK14 (0.65) TGFBR1MAPK14THRBCSNK1DGRM4
SCHEMBL21239068 0.84 TGFBR1 (0.50) TGFBR1MAPK14THRBCSNK1DGRM4
SCHEMBL30509375 0.84 MAPK14 (0.65) TGFBR1MAPK14THRBCSNK1DGRM4
SCHEMBL5091553 0.81 TGFBR1 (0.71) TGFBR1MAPK14THRBCSNK1DTGFBR2
SCHEMBL2050975 0.81 TGFBR1 (0.71) TGFBR1MAPK14THRBCSNK1DTGFBR2
SCHEMBL373455 0.81 TGFBR1 (1.00) TGFBR1MAPK14THRBCSNK1DTGFBR2
SCHEMBL5188286 0.80 TGFBR1 (0.70) TGFBR1MAPK14THRBCSNK1DTGFBR2
SCHEMBL5186668 0.80 TGFBR1 (0.66) TGFBR1MAPK14THRBCSNK1DTGFBR2
SCHEMBL15452481 0.78 TGFBR1 (0.55) TGFBR1MAPK14THRBCSNK1DTGFBR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060025451-A1 Novel pyrazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2006-02-02 US claimed
US-20120122212-A1 TGF-BETA PATHWAY INHIBITORS FOR ENHANCEMENT OF CELLULAR REPROGRAMMING OF HUMAN CELLS IPIERIAN, INC. 2012-05-17 US disclosed
EP-2165708-A2 NEW PYRAZOLE DERIVATIVES AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS Pfizer Products Inc. (US) 2010-03-24 EP disclosed
US-20100056571-A1 NOVEL PYRAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER INC. (US) 2010-03-04 US disclosed
US-7638537-B2 Pyrazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2009-12-29 US disclosed
US-20070117850-A1 substituted or unsubstituted 2-pyridyl moiety and a pyrozole ring substituted at 4 position with pyridine ring; inhibits the TGF-beta signaling pathway; anticancer, antifibrotic, antitumor, and antiproliferative agents PFIZER INC. (US) 2007-05-24 US disclosed
US-7151110-B2 Pyrazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2006-12-19 US disclosed
US-20060025451-A1 Novel pyrazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2006-02-02 US disclosed
US-6958354-B2 Pyrazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2005-10-25 US disclosed
EP-1542684-A2 NOVEL PYRAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS Pfizer Products Inc. (US) 2005-06-22 EP disclosed
US-20040116474-A1 Novel pyrazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2004-06-17 US disclosed
WO-2004026306-A2 PYRAZOLE DERIVATIVES AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER PRODUCTS INC. (US) 2004-04-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060025451-A1 Novel pyrazole compounds as transforming growth factor (TGF) inhibitors TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885MAPK14 189/4885THRB 313/4885
US-20100056571-A1 NOVEL PYRAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885MAPK14 170/4885THRB 467/4885
US-20070117850-A1 substituted or unsubstituted 2-pyridyl moiety and a pyrozole ring substituted at 4 position with pyridine ring; inhibits the TGF-beta signaling pathway; anticancer, antifibrotic, antitumor, and antiproliferative agents TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885MAPK14 159/4885THRB 1259/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.